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Also known as: 69998-14-7, Dtxsid80990238, Refchem:1073978, Dtxcid301417342, 1-isopropylpyrimidine-2,4,6(1h,3h,5h)-trione, 1-propan-2-yl-1,3-diazinane-2,4,6-trione
Molecular Formula
C7H10N2O3
Molecular Weight
170.17  g/mol
InChI Key
AGNALZPVBQTXDZ-UHFFFAOYSA-N
FDA UNII
AUW9NM5UUB

CAS 69998-14-7
1 2D Structure

CAS 69998-14-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-propan-2-yl-1,3-diazinane-2,4,6-trione
2.1.2 InChI
InChI=1S/C7H10N2O3/c1-4(2)9-6(11)3-5(10)8-7(9)12/h4H,3H2,1-2H3,(H,8,10,12)
2.1.3 InChI Key
AGNALZPVBQTXDZ-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
AUW9NM5UUB
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 69998-14-7

2. Dtxsid80990238

3. Refchem:1073978

4. Dtxcid301417342

5. 1-isopropylpyrimidine-2,4,6(1h,3h,5h)-trione

6. 1-propan-2-yl-1,3-diazinane-2,4,6-trione

7. 1-(propan-2-yl)-1,3-diazinane-2,4,6-trione

8. Nsc-28924

9. 2,4,6(1h,3h,5h)-pyrimidinetrione, 1-(1-methylethyl)-

10. 1-(1-methylethyl)-2,4,6(1h,3h,5h)-pyrimidinetrione

11. Nsc28924

12. Auw9nm5uub

13. 1-isopropylbarbituric Acid

14. 1-isopropyl Barbituric Acid

15. Schembl10853904

16. Schembl13519126

17. Agnalzpvbqtxdz-uhfffaoysa-n

18. Albb-036608

19. Uca99814

20. Akos022142319

21. Cs-w000298

22. Db-201875

23. 1-isopropylhexahydropyrimidine-2,4,6-trione

24. D77596

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 170.17 g/mol
Molecular Formula C7H10N2O3
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area66.5
Heavy Atom Count12
Formal Charge0
Complexity247
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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